Difference between revisions of "Tiso gene 8143"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] == * smiles: ** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] == * smiles: ** CC([CH]=O)=O * inchi key: ** InChIKey=AIJULSRZWU...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
+
** CC([CH]=O)=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
+
** InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 3-cis-dodecenoyl-CoA
+
** methylglyoxal
 
* molecular weight:
 
* molecular weight:
−
** 943.792    
+
** 72.063    
 
* Synonym(s):
 
* Synonym(s):
−
** 12:1(n-9)
+
** 2-oxopropanal
−
** 12:1 cis-3
+
** acetylformaldehyde
−
** cis-3-dodecenoyl-CoA
+
** pyruvic aldehyde
−
** (3Z)-dodecenoyl-CoA
+
** pyruvaldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[GLYOXIII-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14394]]
+
* [[AMACETOXID-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[D-LACTALDEHYDE-DEHYDROGENASE-RXN]]
 +
* [[GLYOXI-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 78-98-8
 +
* METABOLIGHTS : MTBLC17158
 +
* DRUGBANK : DB03587
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659197 90659197]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=880 880]
−
* CHEBI:
+
* HMDB : HMDB01167
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27989 27989]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02944 C02944]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00546 C00546]
−
* HMDB : HMDB04257
+
* CHEMSPIDER:
−
{{#set: smiles=CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O}}
+
** [http://www.chemspider.com/Chemical-Structure.857.html 857]
−
{{#set: inchi key=InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J}}
+
* CHEBI:
−
{{#set: common name=3-cis-dodecenoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17158 17158]
−
{{#set: molecular weight=943.792   }}
+
* BIGG : mthgxl
−
{{#set: common name=12:1(n-9)|12:1 cis-3|cis-3-dodecenoyl-CoA|(3Z)-dodecenoyl-CoA}}
+
{{#set: smiles=CC([CH]=O)=O}}
−
{{#set: produced by=RXN-14394}}
+
{{#set: inchi key=InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N}}
 +
{{#set: common name=methylglyoxal}}
 +
{{#set: molecular weight=72.063   }}
 +
{{#set: common name=2-oxopropanal|acetylformaldehyde|pyruvic aldehyde|pyruvaldehyde}}
 +
{{#set: consumed by=GLYOXIII-RXN}}
 +
{{#set: produced by=AMACETOXID-RXN}}
 +
{{#set: reversible reaction associated=D-LACTALDEHYDE-DEHYDROGENASE-RXN|GLYOXI-RXN}}

Revision as of 18:52, 18 March 2018

Metabolite METHYL-GLYOXAL

  • smiles:
    • CC([CH]=O)=O
  • inchi key:
    • InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N
  • common name:
    • methylglyoxal
  • molecular weight:
    • 72.063
  • Synonym(s):
    • 2-oxopropanal
    • acetylformaldehyde
    • pyruvic aldehyde
    • pyruvaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 78-98-8
  • METABOLIGHTS : MTBLC17158
  • DRUGBANK : DB03587
  • PUBCHEM:
  • HMDB : HMDB01167
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : mthgxl
"CC([CH]=O)=O" cannot be used as a page name in this wiki.




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